N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide

C28H23FN4O3 — CID 3202039

IUPACN-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(N(C(=O)c2cnccn2)C(C(=O)Nc2ccc(F)cc2)c2ccccc2C)c1
InChIInChI=1S/C28H23FN4O3/c1-18-6-3-4-9-24(18)26(27(35)32-22-12-10-21(29)11-13-22)33(28(36)25-17-30-14-15-31-25)23-8-5-7-20(16-23)19(2)34/h3-17,26H,1-2H3,(H,32,35)
InChIKeyZPGDEMRWWPVUMX-UHFFFAOYSA-N
MW482.52 g/mol
LogP5.15
Rot. Bonds7

About N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide

N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 3202039) has the molecular formula C28H23FN4O3 and a molecular weight of 482.52 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID3202039
Molecular FormulaC28H23FN4O3
Molecular Weight482.52 g/mol
Exact Mass482.18
IUPAC NameN-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(N(C(=O)c2cnccn2)C(C(=O)Nc2ccc(F)cc2)c2ccccc2C)c1
InChIInChI=1S/C28H23FN4O3/c1-18-6-3-4-9-24(18)26(27(35)32-22-12-10-21(29)11-13-22)33(28(36)25-17-30-14-15-31-25)23-8-5-7-20(16-23)19(2)34/h3-17,26H,1-2H3,(H,32,35)
InChIKeyZPGDEMRWWPVUMX-UHFFFAOYSA-N
XLogP5.15
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]-(pyrazine-2-carbonyl)amino]benzoate
CID 4550731
N-(3-ethoxyphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434805
N-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202033
N-(3,4-dimethylphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434842
N-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202059
N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 1435591
N-benzyl-N-[(1S)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434766
N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 3202137
N-(3,5-dimethylphenyl)-N-[(1R)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434723
N-(3-ethoxyphenyl)-N-[(1R)-1-(4-ethylphenyl)-2-(4-fluoroanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 1435457
N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide
CID 3202116
N-(3,5-dimethylphenyl)-N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 1434605

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide (CID 3202039) is N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide is CC(=O)c1cccc(N(C(=O)c2cnccn2)C(C(=O)Nc2ccc(F)cc2)c2ccccc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is ZPGDEMRWWPVUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O3/c1-18-6-3-4-9-24(18)26(27(35)32-22-12-10-21(29)11-13-22)33(28(36)25-17-30-14-15-31-25)23-8-5-7-20(16-23)19(2)34/h3-17,26H,1-2H3,(H,32,35).
What are the key properties of N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide?
N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N-[2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3202039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).